Geometry & MOs

Info

ID:	189751
PubChem CID:	77899735
Reduced:	NO4C22H29 (1)
Stoich.:	AB4C22D29 (1)
Weight, g/mol:	367.175673
ΔH_f, kcal/mol:	-157.81
Dipole, Da:	6.13
IP(EA), eV:	-9.25(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(7H-purin-6-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one

Drug info:

PubChemData

Smile

CC1(CN(CCC1(COC)O)C(=O)CC2=C(CCC2=O)C3=CC=CC=C3)C

DOS

IR

Vibrations